Compound Detail
CHEMBL1257114
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Basic Information
| ChEMBL ID | CHEMBL1257114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBUSMYOJWTVVPF-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
4.59
ALogP
8
HBA
1
HBD
76.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.22
EC50 3 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Casein kinase I isoform delta CHEMBL4484 | IC50 | 7.22 | 6.46 | 60.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.51 | 5.51 | 3100.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | EC50 | 5.25 | 5.25 | 5650.0 | 1 |
| Casein kinase I isoform epsilon CHEMBL4937 | IC50 | 5.13 | 5.13 | 7340.0 | 1 |
| SW-620 CHEMBL612262 | EC50 | 5.07 | 5.07 | 8520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Casein kinase I isoform delta | IC50 | = | 60.0 | nM | 7.22 | Inhibition of rat GST-tagged CK1delta M82F mutant at 10 uM using alpha-casein as... | 29630366 |
| Casein kinase I isoform delta | IC50 | = | 420.0 | nM | 6.38 | Inhibition of rat recombinant CK1delta kinase domain using alpha-casein as subst... | 29630366 |
| Casein kinase I isoform delta | IC50 | = | 1660.0 | nM | 5.78 | Inhibition of full-length rat GST-tagged CK1delta using alpha-casein as substrat... | 29630366 |
| Unchecked | EC50 | = | 3100.0 | nM | 5.51 | Antiproliferative activity against human Panc89 cells after 48 hrs by MTT assay | 29630366 |
| MIA PaCa-2 | EC50 | = | 5650.0 | nM | 5.25 | Antiproliferative activity against human MIAPaCa2 cells after 48 hrs by MTT assa... | 29630366 |
| Casein kinase I isoform epsilon | IC50 | = | 7340.0 | nM | 5.13 | Inhibition of human recombinant CK1epsilon using alpha-casein as substrate after... | 29630366 |
| SW-620 | EC50 | = | 8520.0 | nM | 5.07 | Antiproliferative activity against human SW620 cells after 48 hrs by MTT assay | 29630366 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29630366 | 10.1021/acs.jmedchem.8b00095 | Casein kinase I isoform delta | 7 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | Unchecked | 5 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | Casein kinase I isoform epsilon | 2 |
| 19125156 | 10.1038/nchembio.137 | Protein-serine O-palmitoleoyltransferase porcupine | 1 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | Casein kinase I isoform alpha | 1 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | Casein kinase I isoform gamma-3 | 1 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | MIA PaCa-2 | 1 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | PANC-1 | 1 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | HT-29 | 1 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | HEK293 | 1 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | SW-620 | 1 |
| 29630366 | 10.1021/acs.jmedchem.8b00095 | CAPAN-1 | 1 |
Data from ChEMBL 36 via Core Engine